SCHEMBL4325833

SCHEMBL4325833

Cc1ccc(OCCC2CCN(Cc3c(Br)c(=O)n(-c4ccccc4)n3C)CC2)cc1C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.40
DRD4 P21917 1/20 0.40
MAOB P27338 4/20 0.40
MAOA P21397 5/20 0.39
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
ADRA1A P35348 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MCHR1 Q99705 1/20 0.38
ACHE P22303 2/20 0.37
BCHE P06276 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4326894 0.90 HPGD (0.43) DRD2DRD4ACHE
SCHEMBL4329706 0.90 TEAD1 (0.43) DRD2DRD4HTR1AHTR7ACHE
SCHEMBL4328154 0.90 DRD2 (0.39) DRD2DRD4MAOBMAOAHTR1A
SCHEMBL4335818 0.89 KDM4E (0.44) DRD2DRD4MAOBMAOAMCHR1
SCHEMBL4329427 0.88 HRH3 (0.43) DRD2DRD4HTR1AHTR7MEN1
SCHEMBL4325804 0.87 FAAH (0.41) DRD2DRD4HTR1AHTR7ACHE
SCHEMBL4334399 0.87 SLC6A3 (0.42) DRD2HTR1AHTR2A
SCHEMBL4324440 0.86 MEN1 (0.43) MEN1KMT2A
SCHEMBL4318219 0.79 CHEK2 (0.39) DRD2DRD4MAOBMAOAACHE
SCHEMBL4329772 0.79 KDM4E (0.41) DRD2DRD4MAOBMAOAACHE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders ASTRAZENECA AB (SE) 2009-03-12 US disclosed
US-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders ASTRAZENECA AB (SE) 2009-03-12 US disclosed
US-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders ASTRAZENECA AB (SE) 2009-03-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders GRIN1, GRM1, GRIN3A DRD2 121/4885DRD4 241/4885MAOB 715/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.